Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "4d8cbcfb55bc51ba7cd1f56362dbbd7c",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 91.613,
"b": 63.570,
"c": 80.095,
"alpha": 90.00,
"beta": 118.39,
"gamma": 90.00
},
"wavelengths": [0.99990],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [45.530,1.700],
"number_observations": 172609,
"number_observations_unique": 44218,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "R(meas)",
"value": 0.075
},
{
"type": "R(pim)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 11.100
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.730,1.700],
"number_observations": 7870,
"number_observations_unique": 2200,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.450
},
{
"type": "R(meas)",
"value": 0.528
},
{
"type": "R(pim)",
"value": 0.271
},
{
"type": "I/SigI",
"value": 2.400
},
{
"type": "Completeness",
"value": 93.800
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.839
}
]
},
{
"resolution_limits": [45.530,9.000],
"number_observations": 1238,
"number_observations_unique": 327,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.039
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 27.000
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}